2-[2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid

C16H16N6O5 — CID 19485639

IUPAC2-[2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCn1cc(NC(=O)Cn2nccc2C(=O)O)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C16H16N6O5/c1-21-8-11(14(20-21)15(24)17-7-10-3-2-6-27-10)19-13(23)9-22-12(16(25)26)4-5-18-22/h2-6,8H,7,9H2,1H3,(H,17,24)(H,19,23)(H,25,26)
InChIKeyPDUBFTWKYLCROI-UHFFFAOYSA-N
MW372.34 g/mol
LogP0.48
Rot. Bonds7

About 2-[2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid

2-[2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid (PubChem CID 19485639) has the molecular formula C16H16N6O5 and a molecular weight of 372.34 g/mol. Its IUPAC name is 2-[2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
PubChem CID19485639
Molecular FormulaC16H16N6O5
Molecular Weight372.34 g/mol
Exact Mass372.12
IUPAC Name2-[2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCn1cc(NC(=O)Cn2nccc2C(=O)O)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C16H16N6O5/c1-21-8-11(14(20-21)15(24)17-7-10-3-2-6-27-10)19-13(23)9-22-12(16(25)26)4-5-18-22/h2-6,8H,7,9H2,1H3,(H,17,24)(H,19,23)(H,25,26)
InChIKeyPDUBFTWKYLCROI-UHFFFAOYSA-N
XLogP0.48
TPSA144.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-1-methyl-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19570005
1-[3-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470772
N-(furan-2-ylmethyl)-1-methyl-4-[(1-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxamide
CID 19474684
2-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19482452
4-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19477079
1-ethyl-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 19472218
1-ethyl-N-(furan-2-ylmethyl)-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19569994
N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414658
4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19551876
4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400558
1-ethyl-N-(furan-2-ylmethyl)-4-[(2-methylpyrazole-3-carbonyl)amino]pyrazole-3-carboxamide
CID 19475701
4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19500316

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid (CID 19485639) is 2-[2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid is Cn1cc(NC(=O)Cn2nccc2C(=O)O)c(C(=O)NCc2ccco2)n1.
What is the InChIKey of 2-[2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The InChIKey is PDUBFTWKYLCROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O5/c1-21-8-11(14(20-21)15(24)17-7-10-3-2-6-27-10)19-13(23)9-22-12(16(25)26)4-5-18-22/h2-6,8H,7,9H2,1H3,(H,17,24)(H,19,23)(H,25,26).
What are the key properties of 2-[2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
2-[2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid has a molecular weight of 372.34 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19485639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).